1-(3-methylbenzyl)-1H-indole-3-carbaldehyde
Basic information
- CAS
428470-09-1- Standard SMILES
Cc1cccc(Cn2cc(C=O)c3ccccc32)c1- InChIKey
GRXZPUPSNRQSLN-UHFFFAOYSA-N- Molecular formula
- C17H15NO
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.1153641
Names & identifiers
- Preferred name
- 1-(3-methylbenzyl)-1H-indole-3-carbaldehyde
- IUPAC
- 1-[(3-methylphenyl)methyl]indole-3-carbaldehyde
- English name
- 1-(3-Methylbenzyl)-1H-indole-3-carbaldehyde
- Molecular formula
- C17H15NO
- Molecular weight
- 249.31
Names & synonyms
1-(3-methylbenzyl)-1H-indole-3-carbaldehyde428470-09-11-[(3-methylphenyl)methyl]indole-3-carbaldehyde1-[(3-methylphenyl)methyl]-1H-indole-3-carbaldehydeMFCD02617077Cambridge id 6458685MLS001200634CHEMBL1532595SCHEMBL28900440DTXSID601322631HMS2851K10ALBB-001448
Show more names
IVK/1272581ZINC002641671-(3-methylbenzyl)indole-3-carbaldehyde1-[(3-methylphenyl)methyl]-3-indolecarboxaldehyde1-[(3-methylphenyl)methyl]-1H-indole-3-carboxaldehyde1H-Indole-3-carboxaldehyde, 1-[(3-methylphenyl)methyl]-
BBL015330STK415352AKOS0001002211-(m-tolylmethyl)indole-3-carbaldehydeSMR000564744VS-04910CS-0317840ST50844760
Database identifiers
- CAS
428470-09-1- PubChem CID
- 775600
- DTXSID
DTXSID601322631- ChEMBL
CHEMBL1532595
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Solubility14.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 450.3 · 450.3±33.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
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